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2024

FAIRmat Project Meeting
Meeting
DATE: June 10-12
LOCATION: Berlin

The entire FAIRmat team has an internal project meeting twice yearly to discuss progress and upcoming tasks in all seven areas. Our first Project Meeting in 2024 will take place in June at our headquarters in Berlin.

FAIRmat Project Meeting
18th ICC -International Congress on Catalysis
Conference
DATE: July 14-19, 2024
LOCATION: Lyon, France

The 18th International Congress on Catalysis will be held in Lyon, France, from July 14-19, 2024. As digitization has far-reaching implications for methodologies and workflows, also in catalysis research, a symposium will be dedicated to this topic and the need for FAIR data.

It will provide an opportunity to discuss the potential of digitalization in catalysis in all its aspects, including standardization of catalysis data, data sharing and curation, catalysis informatics, community-driven infrastructure, and digital research. The aim is to show a viable path for a digital transition for the community, both from an experimental and a theoretical perspective.

18th ICC -International Congress on Catalysis
1st FAIRmat Workshop on Data Exchange and Storage in Optical Spectroscopy
Workshop (part of series)
DATE: May 27-28, 2024
LOCATION: Berlin and Online

In this workshop, we would like to give you an introduction to FAIR data management and point out the problems present in laboratories that use optical spectroscopy methods such as ellipsometry, Raman spectroscopy, photoluminescence, reflection & transmission spectroscopy. We want to present our approach to map FAIR data as well with examples. We invite you to contribute so that you as well can use these structures as various optical spectroscopy methods have different requirements. We want to use the feedback from discussions to finalize the minimal needs and maximal capabilities, to define a standard, which is used as the base class for all the different spectroscopy methods. 

1st FAIRmat Workshop on Data Exchange and Storage in Optical Spectroscopy
FAIRmat Seminar with Janosh Riebesell
Seminar
DATE: May 23, 2024 TIME: 11:00 - 12:00 CEST
SPEAKER(S): Janosh Riebesell
LOCATION: Berlin and Online

Foundational Machine Learning Potentials - Challenges and Opportunities

 

Graph neural network interatomic potentials have emerged as powerful tools for accelerating materials simulation and property prediction.

The latest generation of models approach about ab initio accuracy while maintaining linear scaling of compute cost with system size, promising high quality molecular dynamics at unprecedented time and length scales.

 

For more information and to register for the event, click here.

FAIRmat Seminar with Janosh Riebesell
FAIRmat Tutorial 13: NOMAD for Experimental Data Management in Synthesis
Tutorial
DATE: May 15, 2024 TIME: 13:00-16:00 CEST
LOCATION: Online

FAIRmat Tutorial 13, presented by FAIRmat Area A Synthesis, introduces NOMAD and NOMAD Oasis as essential tools for research data management (RDM). This tutorial will specifically demonstrate how to utilize these tools for managing experimental materials science data, with a particular focus on synthesis data.

 

Participants will learn about NOMAD's versatile data model, which ensures data interoperability, and its various types and levels of schemas, including custom yaml schemas, community standards, plugins, and BaseSections. The tutorial will also cover the integration of NOMAD with Electronic Lab Notebooks (ELNs) to enhance data documentation and management.

 

A practical session will guide users through a typical synthesis data example, demonstrating how to start from NOMAD's built-in ELNs, develop a data schema, convert it into a NOMAD plugin for automated data processing, and deploy the schema on a local NOMAD Oasis. This hands-on approach will provide invaluable insights into customizing NOMAD to fit specific experimental workflows.

 

The session is designed to serve various user groups, including standard users, data stewards & data scientists, and system administrators, ensuring that each participant gains a comprehensive understanding of the tool's capabilities and applications in their respective roles. Join us to explore how NOMAD can transform your approach to data management in experimental synthesis, leading to more efficient and coherent research outputs - FAIR principles in practice.

 

Register here!

FAIRmat Tutorial 13: NOMAD for Experimental Data Management in Synthesis
FAIRmat Seminar with Giovanni Vignale
Seminar
DATE: May 14, 2024 TIME: 13:00 - 14:00
SPEAKER(S): Giovanni Vignale
LOCATION: Berlin and online

Geometric Density Functional Theory

 

Geometric Density Functional Theory is an attempt to directly compute the universal energy functional and its (functional) derivatives from the solution of an optimization problem in which the electronic density is kept constant.  The process can be described as "finding the ground-state of an electron gas of prescribed density". In this approach the target density is established and maintained through a geometric deformation of the original coordinates.

For more information and to register for the event, click here

FAIRmat Seminar with Giovanni Vignale
On-site LLM Hackathon for Applications in Materials and Chemistry in Berlin
DATE: May 6-9, 2024
LOCATION: Berlin

Join us for the LLM Hackathon in Materials and Chemistry in Berlin! 

We are excited to host the onsite segment of the LLM Hackathon for Applications in Materials and Chemistry in Berlin. The event will take place at the Center for the Science of Materials Berlin (CSMB) from 6 to 8 May. (There will be an optional online continuation on 9 May to follow the global event).

 

The event aims to explore and demonstrate innovative applications of large language models in materials science.

Event highlights:

  • An introductory talk on the potential of LLMs in materials science.
  • Access to GPUs via our intranet for faster computational tasks.
  • A wide range of projects to get involved in.
  • And, of course, lots of pizza!

Places are limited, so do not miss out! Register now to secure your place at the onsite LLM Hackathon in Berlin.

 

This onsite event is part of the wider LLM Hackathon for Applications in Materials and Chemistry. You should also register for the global event

 

We look forward to seeing you!

On-site LLM Hackathon for Applications in Materials and Chemistry in Berlin
FAIR Data Principles in Physical Sciences in NFDI - Workshop on use cases and FAIR data
Workshop
DATE: April 26, 2024 TIME: 13:00-15:00 CEST
LOCATION: Online

We are happy to announce our next workshop on use cases in the NFDI, presented by Physical Sciences in NFDI (PSinNFDI).

While different disciplines experience different challenges in establishing the FAIR principles for research data, there are also many similar approaches and solutions. In this workshop, we will present examples of use cases highlighting those common concepts, tools, and software that exploit workflows to achieve FAIR data across scientific disciplines. FAIR data does not start in a repository, but needs to be established already during the data generation within a research process. Hence, we invite you to join us in exploring tools and approaches to create FAIR workflows with fascinating use cases from:

 

  • PUNCH4NFDI: Curating Data Flows: Leveraging REANA for Reproducible Analyses of Dimensionality Reduction Workflows
  • NFDI-MatWerk: Creating and running automated workflows for material science simulations
  • DAPHNE4NFDI: Overarching Data Management Ecosystem HELIPORT

Join us online: https://us02web.zoom.us/j/83305688762

FAIR Data Principles in Physical Sciences in NFDI - Workshop on use cases and FAIR data
Data-Driven Materials Informatics Statistical Methods and Mathematical Analysis
IMSI Long Program
DATE: March 4 - May 24, 2024

The aim of this program is to bring together a diverse scientific audience, both between scientific fields (physical sciences, materials sciences, biophysics, etc) and within mathematics (mathematical modeling, numerical analysis, statistics and data analysis, etc), to make progress on key questions of materials informatics. Applications received by January 1, 2023 will be given first priority for consideration.

Data-Driven Materials Informatics Statistical Methods and Mathematical Analysis
FAIRmat contribution at DPG Spring Meeting of the Condensed Matter Section (SKM)
Conference
DATE: March 17-22, 2024
LOCATION: Berlin

The DPG Spring Meeting of the Condensed Matter Section (SKM) will take place on March 17 - 22, 2024, on the Technische Universität Berlin campus. 

FAIRmat will be presented with a variety of contributions. Get an overview here.

FAIRmat contribution at DPG Spring Meeting of the Condensed Matter Section (SKM)
FAIRmat Tutorial 12: Getting started with NOMAD and NOMAD Oasis for research data management (RDM)
Tutorial
DATE: February 14, 2024 TIME: 13:00-16:00 CEST
SPEAKER(S): Markus Scheidgen, Lauri Himanen
LOCATION: Online

In this online tutorial we will cover the first steps with NOMAD and NOMAD Oasis. We will briefly cover the core NOMAD functionality on exploring, uploading, sharing and publishing data with NOMAD. We will then explore options for creating your own schemas and plugins to support new file formats and create custom electronic lab notebooks (ELNs), we show ways to customize an NOMAD Oasis, and how to contribute to the development of NOMAD and its ecosystem.

The tutorial includes an introduction talk about NOMAD and FAIRmat, including the latest changes and features in NOMAD. This is followed by a practical follow along session, where we go through a Jupyter notebook that demonstrates how to use NOMAD for managing custom data and file types. Based on a simple given dataset, we show how to model the data in a schema, do parsing and normalization, process data, access existing data with NOMAD's API for analysis, and how to add visualization to your data.

FAIRmat Tutorial 12: Getting started with NOMAD and NOMAD Oasis for research data management (RDM)
Physical Sciences in NFDI Colloquium
Colloquium
DATE: February 14, 2024 TIME: 11:00 CEST
SPEAKER(S): Matthew Newville
LOCATION: Karlsruhe and online

X-ray Absorption Spectroscopy (XAS) gives unique information about the chemical state of materials. Highquality XAS data requires well-prepared samples and access to valuable synchrotron beamlines or state-ofthe-art laboratory sources, XAS data is a rare and valuable commodity. Well-maintained databases of XAS spectra on both standard reference materials and samples then become important for the synchrotron and scientific communities, both for individual researchers and for automated machine-learning methods. Enabling the automated use of spectral libraries requires curated and documented formats and metadata fields for the spectral data. I will present existing XAS spectral libraries and formats, and report on progress from a Working Group from the XAFS community towards standardizing metadata and defining specifications for both plain text and NeXuS/HDF5 formats for XAS data.

Physical Sciences in NFDI Colloquium
Diversity in Physical Sciences
Talk
DATE: February 1, 2024 TIME: 11:00-12:00 CEST
SPEAKER(S): Sonja Herres-Pawlis
LOCATION: Online

How can diversity and equality be increased in the physical sciences? Is it even still necessary or have we already achieved equality, for example with respect to gender? Which measures were taken within the individual scientific communities and what were the outcomes? And which situation do we encounter in infrastructure projects such as the various NFDI consortia?

Sonja Herres-Pawlis (NFDI4Chem) will share her experiences on the situation of diversity within chemistry in a keynote talk.

Afterwards, we invite you to join the discussion on these and more questions related to diversity, equality and equity in order to exchange experiences and discuss new ideas.

Click here to access the meeting!

Diversity in Physical Sciences
2nd FAIRmat workshop on data exchange and storage in photoemission spectroscopy
Workshop (part of series)
DATE: January 24-25, 2024
LOCATION: Berlin and online

Following up on our first workshop in May 2023, we will present the resulting improvements, further develop collaboration and plan to finalize the application definitions for photoelectron spectroscopy.

2nd FAIRmat workshop on data exchange and storage in photoemission spectroscopy

2023

Third FAIRmat users meeting
Meeting
DATE: November 15-16, 2023
LOCATION: Berlin and online

The FAIRmat users meeting is a public event that brings together a diverse group of researchers, data scientists, and research data management professionals passionate about data infrastructures, the FAIR data principles, and their role in scientific research.

For the first time, our third users meeting will be held over two days to maximize the opportunity for interaction between our users, interested members of the public, and FAIRmat experts.

You will be introduced to the NFDI, its mission, progress, and prospects, learn about NOMAD and NOMAD Oasis from our experts, and hear about use cases from our users. The first day will conclude with a poster session. On day two, we offer interactive sessions and hands-on workshops on research data management (RDM) and using NOMAD and NOMAD Oasis.

Third FAIRmat users meeting
FAIRmat Tutorial 11: Research data management, from fundamentals to implementation
Tutorial
DATE: October 25, 2023 TIME: 14:00-15:00 CEST
LOCATION: Online

In this interactive tutorial, we will explain the different stages of the research data lifecycle and identify the best practices for each stage. We will explore the FAIR data principles —Findable, Accessible, Interoperable, and Reusable— and provide insights into their implementation during the research process. In addition, we will introduce the concept of data management plans, which define the data management process during research projects, along with practical tips on the various components and how to comply with funder requirements. 

The tutorial is divided into two sessions:

  • Basic concepts and definitions of FAIR data and RDM
  • Practical tips and examples for applying best practices in RDM
FAIRmat Tutorial 11: Research data management, from fundamentals to implementation
Unlocking the Potential of Data - FAIR Data Principles in NFDI
Workshop
DATE: September 29, 2023 TIME: 09:00-11:00 CEST
LOCATION: Online

Different disciplines face different specific challenges, but there are also many similarities. With a focus on software tools and their application, we want to explore use cases within the different consortia and find advantages and challenges in achieving the FAIR principles across disciplines. 

The following use cases will be included in the workshop:

  • Introduction to the FAIR principles - Michael Liebau, NFDI4Cat
  • Interactive Exploration of the Perovskite Solar Cell Research Landscape with the NOMAD's Solar Cell App - José Márquez, FAIRmat
  • Electronic Lab Notebooks: Chemotion - Benjamin Golub, NFDI4Chem
  • NOMAD CAMELS - Alexander Fuchs / Michael Krieger, FAIRmat 
Unlocking the Potential of Data - FAIR Data Principles in NFDI
Glimpses of the future: a “full stack”, highly automated materials research laboratory
Seminar
DATE: September 28, 2023 TIME: 11:00 CEST
SPEAKER(S): Brian Richard Pauw
LOCATION: Berlin and online

Join us for the FAIRmat seminar on September 28, 2023 at 11:00, in IRIS Adlershof (Berlin) and online, with speaker Brian Richard Pauw (Bundesanstalt für Materialforschung und -prüfung).

Glimpses of the future: a “full stack”, highly automated materials research laboratory
CECAM Flagship Workshop on FAIR and TRUE Data Processing for Soft Matter Simulations
Workshop
DATE: September 25-27, 2023
LOCATION: Max Planck Institute for Polymer Research, Mainz, Germany

The FAIRmat consortium and MOSDEF group are holding a CECAM flagship workshop to highlight efforts towards FAIR data management for molecular simulations and to discuss standardization of metadata and interoperability within the community. The speakers represent a range of perspectives including FAIR-data-type projects and consortia as well as developers of simulation engines. There will also be proposals for metadata schemes / ontologies as well as research talks focusing on curating and usage of large datasets.

CECAM Flagship Workshop on FAIR and TRUE Data Processing for Soft Matter Simulations
1st Conference on Research Data Infrastructure
Conference
DATE: September 12-14, 2023
LOCATION: Karlsruhe

With the first edition of the Conference on Research Data Infrastructure from 12 to 14 September 2023, the Association German National Research Data Infrastructure (NFDI) is initiating a conference that will focus on establishing interdisciplinary research data management (RDM). Under the theme Connecting Communities, national and international stakeholders from all research fields as well as from the infrastructure sector are invited to present their contributions to an excellent RDM of the future and to exchange information about the latest developments. NFDI is organizing the conference in cooperation with the Karlsruhe Institute of Technology (KIT). NFDI contributors as well as all other RDM interested stakeholders will have the opportunity to meet at the KIT South Campus. Over the course of three days, topics related to RDM and the joint development of an effective research data infrastructure for Germany and beyond will be examined from a wide variety of perspectives.

1st Conference on Research Data Infrastructure
VIPERLAB Data Management Workshop
Workshop
DATE: July 26, 2023 TIME: 10:30-16:30 CEST
SPEAKER(S): Eva Unger, José Marquez, Hampus Näsström, Heiko B. Weber, Michael Krieger & more
LOCATION: Erlangen

The Viperlab Data Management Workshop is a full-day event focused on materials research data management, offering an overview of the most relevant strategies and opportunities offered by  NOMAD-LAB and NEO4J databases for projects such as VIPERLAB involved on Solar Perovskite material and devices. We invite researchers, industry professionals, and anyone interested in data management to join us for this event which promises to be a valuable platform for staying up to date with the latest advancements and fostering collaboration in the field of data management for materials research.

VIPERLAB Data Management Workshop
FAIR research data management for materials science with NOMAD
DATE: June 28, 2023 TIME: 14:00 CET
SPEAKER(S): Markus Scheidgen
LOCATION: online

Coffee Lecture with Markus Scheidgen (Humboldt University Berlin) in English. An event of the Competence Network Research Data Management at Thuringian Universities.

FAIR research data management for materials science with NOMAD
FAIRmat Tutorial 10: FAIR electronic-structure data in NOMAD
Tutorial
DATE: June 14, 2023 TIME: 14:00-17:00 CEST
SPEAKER(S): Luca Ghiringhelli, Nathan Daelman, José M. Pizarro
LOCATION: Online

The FAIRmat consortium aims to extend the current NOMAD Lab (meta)data structure to a large variety of materials-science data. Given our strong foundation in computational data, especially DFT, we are now extending our scope. In this tutorial, we will explain the (meta)data structure for ab initio calculations, with an emphasis on precision and on going beyond the accuracy limits of DFT.


This tutorial is suitable for new and experienced researchers who want to learn about the latest features in treating DFT and beyond DFT methodologies. We will give a brief introduction to the NOMAD Lab and the FAIRmat consortium, followed by a guided tutorial where we will:

  • Show you how you can upload, publish, and explore ab initio computational data.
  • Show you how to define your own complex workflows, linking between DFT and beyond DFT calculations.
  • Give you examples of the post-processing capabilities of the NOMAD Lab.
FAIRmat Tutorial 10: FAIR electronic-structure data in NOMAD
Second FAIRmat users meeting
Meeting
DATE: June 7, 2023 TIME: 12:00-17:00
LOCATION: Berlin and online

This meeting is an opportunity for users and interested members of the public to get to know FAIRmat and share their questions and ideas with us. You will hear from representatives of FAIRmat as well current NOMAD and NOMAD Oasis users and we will finish with a poster session.

Second FAIRmat users meeting
WE-Heraeus-Seminar: Accelerated Discovery of New Materials
Seminar
DATE: May 15-18, 2023
LOCATION: Bad Honnef

This WE-Heraeus-Seminar will bring together researchers at all career stages from experiment, theory, and computer science to discuss digitalization strategies for materials research. The seminar will put a main - but not exclusive - focus on two novel classes of materials: „high entropy alloys” (HEA) and „metal organic frameworks“ (MOFs).

Applications are open until March 12, 2023 on the WE-Heraeus Foundation website.

WE-Heraeus-Seminar: Accelerated Discovery of New Materials
FAIRmat workshop on data exchange and storage in photoemission spectroscopy
Workshop (part of a series)
DATE: May 11-12, 2023
LOCATION: Berlin & Online

The aim of this workshop is to lay the foundation for a cooperation of users and technology partners to work together on making photoemission spectroscopy data FAIR, i.e. Findable, Accessible, Interoperable, and Re-purposable.

FAIRmat workshop on data exchange and storage in photoemission spectroscopy
FAIRmat Tutorial 9: Plugins: Python schemas and parsers
Tutorial
DATE: April 26, 2023 TIME: 14:00-17:00 CEST
SPEAKER(S): Markus Scheidgen, Lauri Himanen
LOCATION: Online

NOMAD is a research data management platform for materials science. NOMAD Oasis allows you to operate the popular NOMAD service for your own lab, with your rules, and on your resources. You can adopt NOMAD Oasis to implement your institutes data policies and to work with your specific data types and workflows.

This tutorial aims to introduce participants to the new plugin mechanism in NOMAD and teach them how to develop and integrate their own Python schemas and parsers to a NOMAD Oasis. Plugins enable you to alter how NOMAD processes data and therefore allow for more powerful customisations than the custom schemas presented in past tutorials. Participants will learn how to enable the conversion of new materials science data formats into NOMAD's standardised and machine-readable format. NOMAD plugins can be contributed to the community to further promote reproducibility and transparency in materials science.

FAIRmat Tutorial 9: Plugins: Python schemas and parsers
Open and FAIR knowledge and data dissemination
Colloquium (part of a series)
DATE: April 13, 2023 TIME: 15:00 CET
SPEAKER(S): Egon Willighagen
LOCATION: Online

Dr. Egon Willighagen, Department of Bioinformatics, NUTRIM School of Nutrition and Translational Research in Metabolism Faculty of Health, Medicine and Life Sciences, Maastricht University: Open and FAIR knowledge and data dissemination. This talk is part of the NFDI Physical Sciences Joint Colloquium.

Open and FAIR knowledge and data dissemination
FAIRmat Tutorial 8: Using NOMAD as an Electronic lab notebook (ELN) for FAIR data
Tutorial
DATE: March 15, 2023 TIME: 14:00-17:00 CEST
SPEAKER(S): Sebastian Brückner, Andrea Albino, Florian Dobener, Hampus Näsström, José Marquez
LOCATION: Online

Approaching the era of big data-driven materials science, one crucial step to collecting, describing, and sharing experimental data is the adoption of electronic laboratory notebooks (ELN). At present, most synthesis data are not structured comprehensively , but FAIRmat is offering a solution by developing and operating the open-source software NOMAD. 

In this tutorial, we demonstrate the usage of NOMAD as an ELN which enables the users to generate data following the FAIR principles. We will show how we adopted NOMAD to capture data from synthesis and experiment and make use of an automated data workflow. 

FAIRmat Tutorial 8: Using NOMAD as an Electronic lab notebook (ELN) for FAIR data
DPG Spring Meeting of the Condensed Matter Section (SKM)
Conference
DATE: March 26-31, 2023
LOCATION: Dresden

From 26 March to 31 March 2023 the DPG Spring Meeting of the Condensed Matter Section (SKM) will take place on the campus of the Technical University Dresden. 

Find FAIRmat at:

  • The focus sessions Making Experimental Data F.A.I.R. – New Concepts for Research Data Management (O84/TT56 & O95/TT68)
  • the discussion session NFDI and FAIR research data: benefit or burden? (PSV X)
  • our exhibition booth!

NOMAD CoE researchers will be present at the focus session Frontiers of Electronic-Structure Theory - Large-scale Calculations Enabled by Sharing Developments and Tools.

DPG Spring Meeting of the Condensed Matter Section (SKM)
Exascale-era data challenges in Physics & Astronomy
Colloquium (part of a series)
DATE: March 2, 2023 TIME: 14:30 CET
SPEAKER(S): Ian Bird
LOCATION: Hamburg & Online

Ian Bird, Technical Coordinator in ESCAPE and Project Lead of the Worldwide LHC Computing Grid (2008 - 2020) will speak about Exascale-era data challenges in Physics & Astronomyin the NFDI Physical Sciences Joint Colloquium.

Exascale-era data challenges in Physics & Astronomy
Virtual pre-meeting for CECAM flagship workshop on FAIR and TRUE Data Processing for Soft Matter Simulations
Workshop
DATE: February 27-28, 2023 TIME: 15:00-19:30 CET
LOCATION: Online

The FAIRmat (https://www.fairmat-nfdi.eu/fairmat/)  and MOSDEF (https://mosdef.org/) consortia have come together to organize a CECAM flagship workshop to address data management challenges in soft matter simulations.

The goal of the virtual pre-meeting is to identify the overarching challenges in this budding discipline, and to effectively prepare for discussing the standardization of simulation data and workflows at the in-person workshop. Representatives from leading data management projects for soft matter simulations will provide overviews of their current capabilities as well as outlooks for the coming year.

Virtual pre-meeting for CECAM flagship workshop on FAIR and TRUE Data Processing for Soft Matter Simulations
Workshop on Materials Data after FAIR Principles-Use Cases, Facilitation and Infrastructure
Workshop
DATE: February 16, 2023 TIME: 07:00-10:30 CET
SPEAKER(S): Luca Ghiringhelli, Gian-Marco Rignanese
LOCATION: Hangzhou and online

The Materials Data Standards workshops, organized by the Beijing Advanced Innovation Center
for Materials Genome Engineering, aim to promote the exchange of opinions on materials
data and materials data standards from the multi-stakeholders and to enable people around
the world to explore the most recent progress on materials data standards, serving as an
important international benchmark for research, quality, safety, and trust on materials data.

The 2nd workshop towards materials data standards will focus on the use cases, facilitation and Infrastructure of materials data after FAIR Principles. 

Access the program and Zoom information here.

Workshop on Materials Data after FAIR Principles-Use Cases, Facilitation and Infrastructure
FAIRmat Tutorial 7: Molecular Dynamics Trajectories and Workflows in NOMAD
Tutorial
DATE: February 15, 2023 TIME: 14:00-17:00 CET
SPEAKER(S): Joseph Rudzinski, Luca Ghiringhelli
LOCATION: Online

The FAIRmat team has recently extended the NOMAD infrastructure to support trajectories and workflows, including classical molecular dynamics simulations. This interactive tutorial will walk users through the new features, demonstrating how to upload data, assess the system composition and equilibration, explore the trajectory metadata, and extract archive entries to perform detailed analyses.

FAIRmat Tutorial 7: Molecular Dynamics Trajectories and Workflows in NOMAD
Webinar: FAIRmat – Making Materials Data Findable and AI Ready
Webinar
DATE: February 1, 2023 TIME: 14:00-14:30 CET
SPEAKER(S): Claudia Draxl and Christoph T. Koch
LOCATION: online

We invite you to an informative webinar on FAIRmat with Claudia Draxl and Christoph Koch from Humboldt-Universität zu Berlin.

Webinar: FAIRmat – Making Materials Data Findable and AI Ready
Machine learning in materials science and crystal growth
Winter school
DATE: January 23-25, 2023
LOCATION: Berlin

This IKZ Berlin and FAIRmat joint winter school invites internationally renowned lecturers to introduce machine learning in materials science and crystal growth for any scientist new to the field. There will be four main sessions:
1. Introduction to ML/AI
2. Data Mining & ML assisted experimenting
3. ML with small data
4. New potentials enabled by ML

The lectures are accompanied by a hands-on tutorial based on the NOMAD AI toolkit.

Machine learning in materials science and crystal growth
FAIR data: no longer optional, but it takes a village!
Colloquium (part of a series)
DATE: January 9, 2023 TIME: 16:00 CET
SPEAKER(S): Susanna-Assunta Sansone
LOCATION: Online

Susanna-Assunta Sansone, Academic Lead of Research Practice; Professor of Data Readiness, Dep of Engineering Science; Associate Director, Oxford e-Research Centre will give the talkFAIR data: no longer optional, but it takes a villagein the NFDI Physical Sciences Joint Colloquium.

FAIR data: no longer optional, but it takes a village!

2022

Applying the FAIR Principles to Crystallography Data Publication – a use case for DAPHNE4NFDI?
Colloquium (part of a series)
DATE: December 7, 2022 TIME: 10:30 CET
SPEAKER(S): John R. Helliwell
LOCATION: Online

John R. Helliwell, Emeritus Professor of Chemistry (University of Manchester), Chairman of IUCr and IUCr and Representative to CODATA will give the talk Applying the FAIR Principles to Crystallography Data Publication – a use case for DAPHNE4NFDI? in the NFDI Physical Sciences Joint Colloquium.

Applying the FAIR Principles to Crystallography Data Publication – a use case for DAPHNE4NFDI?
Introductory Session: Electronic Laboratory Notebooks - What they are and why we need them
DATE: December 8, 2022 TIME: 13:00-17:00
SPEAKER(S): Markus Scheidgen
LOCATION: Online

In this online introductory event hosted by NFDI-MatWerk, six subject matter experts will present six different ELNs using illustrative examples. Here, the basic functionalities of ELNs are illustrated using graph and image data from the MatWerk area.

You can exchange experiences with the experts on the following ELNs: eLabFTW, openBIS, PASTA, Labfolder, Chemotion, NOMAD OASIS.

Read more and register here.

Introductory Session: Electronic Laboratory Notebooks - What they are and why we need them
MPCDF Advanced HPC workshop
Workshop
DATE: November 22-24, 2022
LOCATION: Garching, Germany

The MPCDF "Advanced HPC workshop" (for MPG and NOMAD, in collaboration with Nvidia and Intel) has been scheduled for Nov 22-24, 2022. There will be 1.5 days of tutorials and 1.5 days of "code camp".

MPCDF Advanced HPC workshop
Multi-method, multi-messenger approaches to models of strong correlations
Seminar
DATE: November 24, 2022 TIME: 10:00
SPEAKER(S): Thomas Schäfer
LOCATION: Berlin and online

Thomas Schäfer of the Max-Planck Institute for Solid State Research will speak about Multi-method, multi-messenger approaches to models of strong correlations in a special FAIRmat seminar in Berlin-Adlershof.

Multi-method, multi-messenger approaches to models of strong correlations
FAIRmat Tutorial 6: Experimental data management in NOMAD
Tutorial
DATE: November 23, 2022 TIME: 15:00-18:00 CET
SPEAKER(S): Heiko Weber
LOCATION: Online

We present a hands-on tutorial on how FAIRmat supports the data lifecycle from planning and running an experiment to collecting and annotating data according to international community standards for searchability, and reuse.

For this purpose, we bring a very simple experiment of a temperature dependent I-V measurement in as an example and let every participant follow us and connect to our central data management services, to view, explore and work with the datasets collected on-the-fly. Participants who want to take part in the interactive session only need a web browser and a free account on our central NOMAD server: https://nomad-lab.eu/prod/v1/.

FAIRmat Tutorial 6: Experimental data management in NOMAD
FAIRmat users' meeting
Meeting
DATE: November 16, 2022 TIME: 12:00-17:00
LOCATION: Berlin and online

This meeting is an opportunity for users and interested members of the public to get to know FAIRmat and share their questions and ideas with us. You will hear from representatives in all Areas of FAIRmat as well as some of our current users and at the end of the session there will be an open Q&A.

FAIRmat users' meeting
Strategy for and psychosocial aspects of realizing FAIR data processes
Colloquium (part of a series)
DATE: November 10, 2022 TIME: 17:30 CET
SPEAKER(S): Nancy Washton
LOCATION: Online

Nancy Washton, Catalysis Science Group Lead, Physical Sciences Division, Pacific Northwest National Laboratory will give the talk Strategy for and psychosocial aspects of realizing FAIR data processes in the NFDI Physical Sciences Joint Colloquium.

Strategy for and psychosocial aspects of realizing FAIR data processes
FORSCHUNGSDATEN@RMU 2022
Workshop
DATE: October 20, 2022 TIME: 09:00-17:15
LOCATION: Online

The 3rd virtual Research Data Day at the Rhein-Main Univerisities is dedicated to virtual infrastructures which support research data management.

This will include the workshop "FAIRes Forschungsdaten Management mit NOMAD" (FAIR research data management with NOMAD) by Markus Scheidgen, FAIRmat's infrastructure coordinator. 

FORSCHUNGSDATEN@RMU 2022
CHARISMA Raman School 2022
School
DATE: October 18-19, 2022
LOCATION: Turin, Italy

The CHARISMA Raman School 2022 aims to attract Raman scholars and manufacturers from all over the world to get together and exchange information and ideas about the current state of Raman-related research.

CHARISMA Raman School 2022
FAIRmat Tutorial 5: NOMAD Encyclopedia
Tutorial
DATE: October 5-6, 2022 TIME: 15:00-18:00 (We) & 10:00-18:00 (Th) CEST
SPEAKER(S): Christoph T. Koch & Lauri Himanen
LOCATION: Zoom

The NOMAD Encyclopedia is a web-based public infrastructure that provides this materials-oriented view on the NOMAD Repository & Archive. In this tutorial we will discuss how to navigate the materials space using the Encyclopedia GUI as well as the more advanced tasks which are possible using the Encyclopedia API.

FAIRmat Tutorial 5: NOMAD Encyclopedia
ADCR22 - Annual Digital Catalysis & Catalysis-Related Sciences Conference 2022
Conference
DATE: September 23, 2022
LOCATION: Frankfurt am Main

With this event, NFDI4Cat attempts to bring together scientists, researchers and practitioners working to make the move from current research (local vocabularies, unstructured data, different data formats....) to sustainable FAIR research data management and digitalisation. During this event, NFDI4Cat will showcase the latest research and development in research data management for all steps of catalysis research and facilitate further exchange and collaboration on digital catalysis.

ADCR22 - Annual Digital Catalysis & Catalysis-Related Sciences Conference 2022
FAIRmat workshop on Data Exchange and Storage in Ellipsometry
Workshop (part of a series)
DATE: September 22-23, 2022
LOCATION: Universität Leipzig & Online

The aim of the workshop series is to lay the foundation for a cooperation of users and vendors to work together on making ellipsometry data FAIR, i.e. Findable, Accessible, Interoperable, and Re-purposable.

FAIRmat workshop on Data Exchange and Storage in Ellipsometry
NOBUGS 2022
Conference
DATE: September 19-22, 2022
LOCATION: Villigen, Switzerland

The 13th NOBUGS Conference will be held at Paul Scherrer Institute, Villigen, Switzerland at September 19-22, 2022. The goal of the NOBUGS (New Opportunities for Better User Group Software) Conference Series is to foster collaboration and exchange between scientists and IT professionals working on software for X-ray, neutron and muon sources from around the world.

NOBUGS 2022
FAIRmat online workshop on data quality in DFT codes
Workshop (part of a series)
DATE: September 14, 2022 TIME: 14:00-17:00 CEST
SPEAKER(S): Luca Ghiringhelli, Nathan Daelman, Silvana Botti, Claudia Draxl
LOCATION: Zoom

This is the first meeting of an initiaitve to organize a series on workshops to reach a consensus on how to annotate the quality of stored data.

FAIRmat online workshop on data quality in DFT codes
The Phase Diagram of All Inorganic Materials
Colloquium (part of a series)
DATE: September 9, 2022 TIME: 11:00CEST
SPEAKER(S): Christopher M. Wolverton
LOCATION: Humboldt-Universität zu Berlin, Erwin-Schrödinger-Zentrum and on Zoom

Chris Wolverton, Northwestern University will give the talk The Phase Diagram of All Inorganic Materials in the NFDI Physical Sciences Joint Colloquium.

The Phase Diagram of All Inorganic Materials
Conference on A FAIR Data Infrastructure For Materials Genomics 2022
Conference
DATE: July 12-15, 2022
LOCATION: Online

Welcome to the second International FAIR-DI Conference on a FAIR Data Infrastructure for Materials Genomics (2022) in Shanghai!

Conference on A FAIR Data Infrastructure For Materials Genomics 2022
FAIRmat Tutorial 4: NOMAD Oasis and FAIR Data Collaboration and Sharing
Tutorial
DATE: May 11-12, 2022 TIME: 15:00-18:00 & 10:00-18:00 CEST
LOCATION: zoom

11 May, 15:00 CEST Overview Talk by Claudia Draxl
11 May, 15:45-18:00 CEST & 12 May 10:00-12:00 and 16:00-18:00 CEST Hands-on Tutorial by Markus Scheidgen

FAIRmat Tutorial 4: NOMAD Oasis and FAIR Data Collaboration and Sharing
The Next Decade of the US Materials Genome Initiative
Colloquium (part of a series)
DATE: May 5, 2022 TIME: 10:15 CEST
SPEAKER(S): James A. Warren
LOCATION: Humboldt-Universität zu Berlin, Erwin-Schrödinger-Zentrum and on Zoom

For the first talk in the NFDI Physical Sciences Joint Colloquium James A. Warren, Director of the NIST Materials Genome Program will speak about The Next Decade of the US Materials Genome Initiative

The Next Decade of the US Materials Genome Initiative
FAIR-DI - FAIRmat Colloquium with Hans-Joachim Bungartz
Colloquium (part of a series)
DATE: April 7, 2022 TIME: 14:00 CEST
SPEAKER(S): Hans-Joachim Bungartz
LOCATION: online

Prof. Dr. Hans-Joachim Bungartz from the Technical University of Munich will give a talk at the FAIRmat colloquium about "Providing Infrastructure for the Infrastructure".

FAIR-DI - FAIRmat Colloquium with Hans-Joachim Bungartz
FAIRmat Tutorial 3: Introduction to the Artificial-Intelligence Toolkit
Tutorial
DATE: April 6-7, 2022 TIME: 15:00-18:00 & 10:00-18:00 CEST
LOCATION: zoom

06 April, 15:00 CEST Overview Talk by Sergei V. Kalinin
06 April, 15:45-18:00 CEST & 07 April 10:00-12:00 and 16:00-18:00 CEST Hands-on Tutorial by Luca Ghiringhelli and Luigi Sbailò

FAIRmat Tutorial 3: Introduction to the Artificial-Intelligence Toolkit
Online NFDI NeXus Workshop
Workshop
DATE: March 17-18, 2022

Registration and more details are available under https://events.hifis.net/event/323/

Online NFDI NeXus Workshop
FAIRmat Tutorial 2: Electronic Lab Notebooks and FAIR Data Management
Tutorial
DATE: March 9-10, 2022 TIME: 15:00-18:00 & 10:00-18:00 CET
LOCATION: zoom

09 March, 15:00 CET: Overview Talk by John Henry Scott (NIST)
09 March, 15:45-18:00 CET & 10 March 10:00-12:00 and 16:00-18:00 CET: Hands-on Tutorial by Sandor Brockhauser

FAIRmat Tutorial 2: Electronic Lab Notebooks and  FAIR Data Management
FAIRmat Tutorial 1: Publish and Explore Data with NOMAD
Tutorial
DATE: February 9-10, 2022 TIME: 15:00-18:00 & 10:00-18:00 CET
LOCATION: zoom

09 Feb, 15:00 CET: Overview Talk by Matthias Scheffler
09 Feb, 15:45-18:00 CET & 10 Feb 10:00-12:00 CET and 16:00-18:00 CET: Hands-on Tutorial by Markus Scheidgen

FAIRmat Tutorial 1: Publish and Explore Data with NOMAD

2021

FAIR-DI - FAIRmat Colloquium with Christoph T. Koch
Colloquium (part of a series)
DATE: December 2, 2021 TIME: 10:15 CET
SPEAKER(S): Christoph T. Koch

Christoph T. Koch will talk about Ingredients for Effective Computer-augmented Experimental Materials Science.

FAIR-DI - FAIRmat Colloquium with Christoph T. Koch
NOMAD lecture on Intermediate Git
Lecture
DATE: November 3, 2021 TIME: 10:00 CET
SPEAKER(S): Markus Scheidgen
LOCATION: online & in Adlershof

This lecture will prepare you to use git for bigger projects and teams that use many branches, strategies, and intertwined repositories.

NOMAD lecture on Intermediate Git
FAIRmat - A Consortium of the German Research-Data Infrastructure (NFDI)
Conference
DATE: October 20, 2021 TIME: 13:15 (UTC) / 15:30 (CEST)
SPEAKER(S): Heinz Junkes

Heinz Junkes will give a talk about FAIRmat at the 18th International Conference on Accelerator and Large Experimental Physics Control Systems (ICALEPCS 2021)

FAIRmat - A Consortium of the German Research-Data Infrastructure (NFDI)
FAIR-DI - FAIRmat Colloquium with Barend Mons
Colloquium (part of a series)
DATE: October 7, 2021 TIME: 10:15 CEST
SPEAKER(S): Barend Mons
LOCATION: online and on-site in Berlin-Adlershof

We are excited to have leading FAIR data specialist Barend Mons as our first speaker! He will talk about "How to materialise FAIR". Video: https://youtu.be/N4CBAqKQmQs

FAIR-DI - FAIRmat Colloquium with Barend Mons
NOMAD Tutorial: Workflow Management - Part 2
Tutorial
DATE: June 29-30, 2021
SPEAKER(S): Kristian Thygesen, Geoffroy Hautier
NOMAD Tutorial: Workflow Management - Part 2
NOMAD Tutorial: Workflow Management - Part 1
Tutorial
DATE: May 11-12, 2021
SPEAKER(S): Kristian Thygesen, Geoffroy Hautier
NOMAD Tutorial: Workflow Management - Part 1
Artificial Intelligence Towards Materials Maps
Conference
DATE: April 19, 2021 TIME: 08:00 EDT / 14:00 CEST
SPEAKER(S): Matthias Scheffler

Talk at the 2021 MRS Spring Meeting | video

Artificial Intelligence Towards Materials Maps
Towards Small-Data-Driven Materials Science
Conference
DATE: April 19, 2021 TIME: 16:00 EDT / 22:00 CEST
SPEAKER(S): Luca Ghiringhelli

Talk at the 2021 MRS Spring Meeting

Towards Small-Data-Driven Materials Science
From data to knowledge
Seminar
DATE: April 08, 2021 TIME: 15:00 CET
SPEAKER(S): Claudia Draxl

Claudia Draxl will open the 4th installment of the CECAM Mixed-Gen series on the topic of DataDrivenScience with a seminar titled "From data to knowledge".

From data to knowledge
Clusters and Surfaces in Reactive Atmospheres at Realistic Conditions: Beyond the Static, Monostructure Description
Conference
DATE: March 19, 2021 TIME: 8:00 CDT / 15:00 CET
SPEAKER(S): Luca Ghiringhelli

Invited talk at the APS March Meeting 2021

Clusters and Surfaces in Reactive Atmospheres at Realistic Conditions: Beyond the Static, Monostructure Description
New Horizons for Materials Research
Conference
DATE: March 16, 2021 TIME: 8:24 CDT / 15:24 CET
SPEAKER(S): Claudia Draxl

Invited talk at the APS March Meeting 2021 

New Horizons for Materials Research
Ontologies in Computational Materials Science: The NOMAD experience
Workshop
DATE: March 2, 2021 TIME: 11:45 - 13:15 CET
SPEAKER(S): Luca Ghiringhelli

Invited talk at the 3rd EMMC International Workshop

Ontologies in Computational Materials Science: The NOMAD experience
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 2
Tutorial
DATE: February 9-10, 2021
SPEAKER(S): Luca Ghiringhelli
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 2
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 1
Tutorial
DATE: February 2-3, 2021
SPEAKER(S): Luca Ghiringhelli
NOMAD Tutorial: NOMAD Artificial Intelligence Toolkit - Part 1
Joint Webinar: Ontologies in Science and Technology
Seminar
DATE: January 19, 2021 TIME: 15:00 - 16:30
Joint Webinar: Ontologies in Science and Technology
Recycle the Waste! - Talk by Claudia Draxl
Conference
DATE: January 13, 2021 TIME: 16:30 - 18:00 CET
Recycle the Waste! - Talk by Claudia Draxl
Course on Big Data and Artificial Intelligence in Materials Science
Course
DATE: Winter Semester 2020-21
LOCATION: Lecture
Course on Big Data and Artificial Intelligence in Materials Science

2020

NOMAD tutorial on the NOMAD Materials Encyclopedia
Tutorial
DATE: December 1-2, 2020
SPEAKER(S): NOMAD Developer Lauri Himanen
LOCATION: virtual tutorial
NOMAD tutorial on the NOMAD Materials Encyclopedia
2020 Virtual MRS Fall Meeting
Conference
DATE: November 27 - December 4, 2020

Symposium F.MT07: Data Science and Automation to Accelerate Materials Development and Discovery with a talk by Claudia Draxl about FAIR Data Infrastructures Towards New Horizons for Materials Research

2020 Virtual MRS Fall Meeting
Sharing is caring! Mit FAIRem Datenmanagement und KI die Materialien der Zukunft entdecken (DE)
Panel discussion
DATE: November 10, 2020 TIME: 15:30 - 16:30 CET
SPEAKER(S): Claudia Draxl, Matthias Scheffler, Peter Frensch
LOCATION: Berlin & Livestream

Panel discussion with Claudia Draxl, Matthias Scheffler, and Peter Frensch (Vice President for Research, HU Berlin).

Sharing is caring! Mit FAIRem Datenmanagement und KI die Materialien der Zukunft entdecken (DE)
6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE2020)
Conference
DATE: November 1-4, 2020

Plenary Talk about FAIR Data Infrastructure and Artificial Intelligence in Materials Science by Matthias Scheffler.

6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE2020)
DPG Symposium - Big data driven materials science
CANCELED!
DATE: March 15-20, 2020
LOCATION: Dresden, Germany
DPG Symposium - Big data driven materials science

2019

Big Data Summer - A summer school of the BiGmax Network
School
DATE: September 9 - 13, 2019
LOCATION: Platja d’Aro, Spain
Big Data Summer - A summer school of the BiGmax Network
Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop
Workshop
DATE: July 8-12, 2019
LOCATION: Berlin, Germany
Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop

2018

BigMax Workshop 2018 on Big-Data-Driven Materials Science
Workshop
DATE: April 10 -13, 2018
LOCATION: Kloster Irsee, Germany
BigMax Workshop 2018 on Big-Data-Driven Materials Science
DPG Symposium - Big data in Materials Science – Managing and exploiting the raw material of the 21st century
Symposium
DATE: March 11-16, 2018
LOCATION: Berlin, Germany
DPG Symposium - Big data in Materials Science – Managing and exploiting the raw material of the 21st century